(E)-4-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid

Systemtic Name: (E)-4-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid Openeye Name: (E)-4-hydroxy-4-[2-[(4-methoxyphenyl)methyl]thiazol-4-yl]-2-oxo-but-3-enoic acid CAS Name: (E)-4-hydroxy-4-[2-[(4-methoxyphenyl)methyl]-4-thiazolyl]-2-oxo-3-butenoic acid IUPAC Name: (E)-4-hydroxy-4-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-2-oxobut-3-enoic acid Traditional Name: (E)-4-hydroxy-2-keto-4-(2-p-anisylthiazol-4-yl)but-3-enoic acid Formula: C15H13NO5S MolecularWeight: 319.33242

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2=NC(=CS2)C(=CC(=O)C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)CC2=NC(=CS2)/C(=C\C(=O)C(=O)O)/O

InChI

InChI=1S/C15H13NO5S/c1-21-10-4-2-9(3-5-10)6-14-16-11(8-22-14)12(17)7-13(18)15(19)20/h2-5,7-8,17H,6H2,1H3,(H,19,20)/b12-7+